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Compound Detail

CHEMBL5808430

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CCOc1cc2c(OC[C@@H]3C[C@@](F)(CF)C(=O)N3)ccnc2cc1C(N)=O

Basic Information

ChEMBL ID CHEMBL5808430
Phase Preclinical
Structure Type MOL
InChI Key WFRYTRRINHXZJO-XTZNXHDOSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
1.68
ALogP
5
HBA
2
HBD
103.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19F2N3O4
MW 379.36
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.41

Activity Summary

IC50 3 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 8.96 8.96 1.1 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine